Methyl acetoacetate → HCID 58999000, compound

HRID 2105827Notes

Reaction equation

C[O:2][C:3](=O)[CH2:4][C:5](=O)[CH3:6].[Cl:9][C:10]1[CH:15]=[CH:14][C:13]([C:16]([F:19])([F:18])[F:17])=[CH:12][C:11]=1[C:20](=O)[CH2:21]Br.[CH:24]1([CH2:27][CH2:28][NH2:29])[CH2:26][CH2:25]1.[N:30]1([NH2:36])[CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]1>>[N:30]1([NH:36][C:3]([C:4]2[CH:21]=[C:20]([C:11]3[CH:12]=[C:13]([C:16]([F:19])([F:18])[F:17])[CH:14]=[CH:15][C:10]=3[Cl:9])[N:29]([CH2:28][CH2:27][CH:24]3[CH2:26][CH2:25]3)[C:5]=2[CH3:6])=[O:2])[CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]1

Participants

Reactant 4

HCID 7757Methyl acetoacetate

HCID 166581-Aminopiperidine

HCID 27831832-Chloro-5-(trifluoromethyl)phenacyl bromide

HCID 10240761Cyclopropaneethanamine

Product 1

HCID 58999000HCID 58999000, compound

Procedure

The title compound was synthesized in analogy to Example 68, using 3-oxo-butyric acid methyl ester as compound of formula R, 1-(2-chloro-5-trifluoromethyl-phenyl)-2-bromo-ethanone as compound of formula S, 2-cyclopropyl-ethylamine as R3—(CH2)m—NH2 and 1-piperidinamine as R1R2NH, MS (ISP) 454.5 (M+H)+.

Sources & evidence

ORD record: ord-283e4dd3909f430e9620f6967da9cff6
Source dataset: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07579369B2

Reaction notes

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